| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:13 UTC |
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| Update Date | 2025-03-25 01:01:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252172 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15N5O3S2 |
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| Molecular Mass | 305.0616 |
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| SMILES | NC(N)=Nc1nc(CSCC(O)C(N)C(=O)O)cs1 |
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| InChI Key | ACQLGOMLKRBMGO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2,4-disubstituted thiazolesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylsguanidinesheteroaromatic compoundshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundguanidineorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidorganoheterocyclic compoundazolealcoholsulfenyl compoundazacycledialkylthioetherheteroaromatic compoundorganic 1,3-dipolar compoundhydroxy acidmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioether2,4-disubstituted 1,3-thiazolesecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundthiazoleorganooxygen compound |
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